Compound Identification
SMILES
COC1=C(OC)C=C(C(OCC(Cl)=O)=C1)C1=COC2=C(C=CC3=C2C=C(O3)C(C)C)C1=O
InChIKey
InChIKey=JHHPZNNMPZALIY-UHFFFAOYSA-N
Formula
C24H21ClO7
Mass
456.88
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
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Level 5
4'-O-methylated isoflavonoids
- Level 6 4'-O-methylisoflavones
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Level 5
4'-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
4'-O-methylated isoflavonoids
Direct Parent
4'-O-methylisoflavones
Alternative Parents
3'-O-methylisoflavones Isoflavones Chromones Dimethoxybenzenes Benzofurans Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Acyl chlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3p-methoxyisoflavone - 4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzofuran - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Organoheterocyclic compound - Acyl chloride - Acyl halide - Oxacycle - Ether - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
External Descriptors
Not available